Vitas-M small molecule compound
ethyl (2E)-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798083
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H28N2O4S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4S2/c1-4-6-7-14-32-19-12-10-18(11-13-19)16-21-24(29)28-23(20-9-8-15-33-20)22(25(30)31-5-2)17(3)27-26(28)34-21/h8-13,15-16,23H,4-7,14H2,1-3H3/b21-16+InChIKey
SKJZNEHRUOXTDP-LTGZKZEYSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CS4
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC)C
ETHYL(2E)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)7methyl3oxo2(4(pentyloxy)benzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H28N2O4S2c1467143219121018(111319)162124(29)2823(2098153320)22(25(30)3152)17(3)2726(28)3421h813151623H4714H213H3b2116+
MFCD03417321
ZINC000016700117
ZINC000016700119
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